N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16F4N6O — CID 71526670

IUPACN-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2ccc(N3CCC[C@H]3C(F)(F)F)nc2c1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C18H16F4N6O/c1-10-15(17(29)24-12-7-11(19)8-23-9-12)16-25-14(4-6-28(16)26-10)27-5-2-3-13(27)18(20,21)22/h4,6-9,13H,2-3,5H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyQQZWIUHYCZPYPA-ZDUSSCGKSA-N
MW408.36 g/mol
LogP3.36
Rot. Bonds3

About N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71526670) has the molecular formula C18H16F4N6O and a molecular weight of 408.36 g/mol. Its IUPAC name is N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71526670
Molecular FormulaC18H16F4N6O
Molecular Weight408.36 g/mol
Exact Mass408.13
IUPAC NameN-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2ccc(N3CCC[C@H]3C(F)(F)F)nc2c1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C18H16F4N6O/c1-10-15(17(29)24-12-7-11(19)8-23-9-12)16-25-14(4-6-28(16)26-10)27-5-2-3-13(27)18(20,21)22/h4,6-9,13H,2-3,5H2,1H3,(H,24,29)/t13-/m0/s1
InChIKeyQQZWIUHYCZPYPA-ZDUSSCGKSA-N
XLogP3.36
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71526670) is N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2ccc(N3CCC[C@H]3C(F)(F)F)nc2c1C(=O)Nc1cncc(F)c1.
What is the InChIKey of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QQZWIUHYCZPYPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16F4N6O/c1-10-15(17(29)24-12-7-11(19)8-23-9-12)16-25-14(4-6-28(16)26-10)27-5-2-3-13(27)18(20,21)22/h4,6-9,13H,2-3,5H2,1H3,(H,24,29)/t13-/m0/s1.
What are the key properties of N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-3-pyridinyl)-2-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71526670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).